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Chemical ID: 4905082
Chemical ID:
4905082
Name [?]:
2-hydroxy-3-methyl-8-oxa-4-azabicyclo[4.3.0]nona-1,3,5-trien-7-one
SMILES [?]:
Cc1c(c2c(cn1)C(=O)OC2)O
InChi [?]:
InChI=1/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,11,2,5,4,3,8,7,12,9,10/rA:12nCCCCCCNCOOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s4s10;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7NO3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.53124 |
Area: | 308.221 |
Solvation: | -3.17427 |
Coulombic: | -38.4024 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 165.146 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.3 |
LogP (Chemaxon): | -0.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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